Science Inventory

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Richard, A. U.S. EPA’s Computational Toxicology Program: Innovation Powered by Chemistry (Dalton State College presentation). Presented at Dalton State College, Dalton, GA, April 20, 2017.

Richard, A., Chris Grulke, G. Patlewicz, C. Yang, AND A. Williams. Use of Chemotypes for Profiling and Exploring the ToxCast Chemical-Assay Landscape (ACS Spring meeting). Presented at ACS Spring Meeting, San Francisco, CA, April 02 - 06, 2017. https://doi.org/10.23645/epacomptox.5057953

Grulke, C., I. Thillainadarajah, R. Sayre, K. Mansouri, A. Williams, AND A. Richard. Using semi-automated curation workflows to collect, organize, and curate the data and models necessary to support the EPA CompTox chemical dashboard (ACS Spring meeting). Presented at ACS Spring meeting, San Fransisco, CA, April 01 - 06, 2017. https://doi.org/10.23645/epacomptox.5057974

Richard, A., Chris Grulke, K. Mansouri, R. Judson, AND A. Williams. An Online Prediction Platform to Support the Environmental Sciences (American Chemical Society). Presented at ACS Spring Meeting, San Diego, CA, March 13 - 17, 2016.

Mansouri, K., Chris Grulke, A. Richard, R. Judson, AND A. Williams. An automated curation procedure for addressing chemical errors and inconsistencies in public datasets used in QSAR modeling. SAR AND QSAR IN ENVIRONMENTAL RESEARCH. Taylor & Francis, Inc., Philadelphia, PA, 27(11):911-937, (2016).

Judson, R., K. Houck, M. Martin, A. Richard, T. Knudsen, I. Shah, S. Little, J. Wambaugh, Woodrow Setzer, P. Kothiya, J. Phuong, D. Filer, D. Smith, D. Reif, D. Rotroff, N. Kleinstreuer, N. Sipes, M. Xia, R. Huang, K. Crofton, AND R. Thomas. Analysis of the Effects of Cell Stress and Cytotoxicity on In Vitro Assay Activity Across a Diverse Chemical and Assay Space. TOXICOLOGICAL SCIENCES. Society of Toxicology, RESTON, VA, 152(2):323-339, (2016).

Mansouri, K., A. Abdelaziz, A. Rybacka, A. Roncaglioni, A. Tropsha, A. Varnek, A. Zakharov, A. Worth, A. Richard, Chris Grulke, D. Trisciuzzi, D. Fourches, D. Horvath, E. Benfenati, E. Muratov, E. Wedebye, F. Grisoni, G. Mangiatordi, G. Incisivo, H. Hong, H. Ng, I. Tetko, I. Balabin, J. Kancherla, J. Shen, J. Burton, M. Nicklaus, M. Cassotti, N. Nikolov, O. Nicolotti, P. Andersson, Q. Zang, R. Politi, R. Beger, R. Todeschini, R. Huang, S. Farag, S. Rosenberg, S. Slavov, X. Hu, AND R. Judson. CERAPP: Collaborative Estrogen Receptor Activity Prediction Project. ENVIRONMENTAL HEALTH PERSPECTIVES. National Institute of Environmental Health Sciences (NIEHS), Research Triangle Park, NC, 124(7):1023-1033, (2016).

Strickland, J., M. Martin, A. Richard, AND K. Houck. Characterization of ToxCast Phase II compounds disruption of spontaneous network activity in cortical networks grown on multi-well microelectrode array (mwMEA) plates. Society of Toxicology Annual Meeting, New Orleans, LA, March 13 - 17, 2016.

Richard, A., G. Patlewicz, J. Fitzpatrick, Chris Grulke, I. Thillainadarajah, AND A. Williams. Cheminformatics and Data Mining Approaches for Exploring the Alternatives Testing Landscsape: Case Studies in ToxCast and Skin Sensitization (BOSC CSS). Presented at BOSC CSS Meeting, RTP, NC, November 16 - 18, 2016. https://doi.org/10.23645/epacomptox.5179060

Williams, A., K. Mansouri, T. Martin, Christopher M. Grulke, John F. Wambaugh, R. Judson, A. Richard, G. Patlewicz, AND I. Shah. Data Aggregation, Curation and Modeling Approaches to Deliver Prediction Models to Support Computational Toxicology at the EPA (ACS Fall meeting). Presented at ACS Fall Meeting, Phildelphia, PA, August 21 - 25, 2016.

Williams, A., K. Mansouri, T. Martin, Chris Grulke, J. Wambaugh, R. Judson, G. Patlewicz, I. Shah, AND A. Richard. Delivering The Benefits of Chemical-Biological Integration in Computational Toxicology at the EPA (ACS Fall meeting). Presented at ACS Fall Meeting, Phildelphia, PA, August 21 - 25, 2016. https://doi.org/10.23645/epacomptox.5058490

Richard, A. EPA's ToxCast program: A chemical perspective and update. (QSAR meeting). Presented at QSAR, Miami, FL, June 13 - 17, 2016. https://doi.org/10.23645/epacomptox.5058484

Richard, A., Chris Grulke, I. Thillainadarajah, A. Williams, D. Lyons, AND J. Edwards. Expansion of DSSTox: Leveraging public data to create a semantic cheminformatics resource with quality annotations for support of U.S. EPA applications. (American Chemical Society). Presented at ACS Spring Meeting, San Diego, CA, March 13 - 17, 2016. https://doi.org/10.23645/epacomptox.5058472

Sobus, J., E. Ulrich, A. Williams, A. Richard, K. Phillips, M. Strynar, P. Egeghy, AND J. Wambaugh. Harnessing High-Throughput Monitoring Methods to Strengthen 21st Century Risk-Based Evaluations (SETAC Presentation). 37th SETAC North America Annual Meeting, Orlando, FL, November 06 - 10, 2016.

Houck, K., A. Karmaus, A. Richard, AND J. Franzosa. Heavy Metals in ToxCast: Relevance to Food Safety (SOT). Presented at SOT, New Orleans, LA, March 13 - 17, 2016. https://doi.org/10.23645/epacomptox.5084224

Rager, J., M. Strynar, S. Liang, R. McMahen, A. Richard, C. Grukle, J. Wambaugh, K. Isaacs, R. Judson, A. Williams, AND J. Sobus. Linking high resolution mass spectrometry data with exposure and toxicity forecasts to advance high-throughput environmental monitoring. ENVIRONMENT INTERNATIONAL. Elsevier Science Ltd, New York, NY, 88:269-280, (2016).

Wambaugh, J., A. Yau, A. Gregg, A. Sumner, K. Favela, D. Biryol, P. Egeghy, Chris Grulke, K. Isaacs, X. Liu, K. Mansouri, C. Nicolas, K. Phillips, A. Richard, C. Ring, Woodrow Setzer, J. Sobus, A. Williams, AND R. Thomas. New Data from EPA's Exposure Forecasting (ExpoCast) Project (ISES meeting). Presented at International Society of Exposure Science (ISES) Annual Meeting, Utrecht, NETHERLANDS, October 09 - 13, 2016. https://doi.org/10.23645/epacomptox.5056792

Wambaugh, J., A. Yau, K. Phillips, K. Favela, C. Nicolas, D. Biryol, Chris Grulke, A. Richard, Paul S Price, K. Isaacs, AND R. Thomas. Product Deformulation to Inform High-throughput Exposure Predictions (SOT). Presented at Society of Toxicology, New Orleans, LA, March 13 - 17, 2016. https://doi.org/10.23645/epacomptox.5176402

Judson, R., A. Williams, I. Shah, G. Patlewicz, Eric Watt, P. Pradeep, S. Chavan, J. Edwards, A. Richard, Chris Grulke, M. Martin, K. Mansouri, D. Smith, J. Smith, J. Vail, J. Lambert, S. Wesselkamper, AND R. Thomas. RapidTox - Tools for Rapid Risk Assessments (BOSC). Presented at BOSC Css Meeting, RTP, NC, November 16 - 18, 2016. https://doi.org/10.23645/epacomptox.5181097

Williams, A., Chris Grulke, J. Smith, K. Mansouri, A. McEachran, A. Richard, J. Edwards, J. Sobus, K. Dionisio, K. Phillips, AND T. Martin. The EPA Comptox Chemistry Dashboard . (BOSC). Presented at BOSC CSS Meeting, RTP, NC, November 16 - 18, 2016. https://doi.org/10.23645/epacomptox.5179072

Richard, A., R. Judson, K. Houck, C. Grulke, P. Volarath, I. Thillainadarajah, C. Yang, J. Rathman, M. Martin, J. Wambaugh, T. Knudsen, K. Mansouri, J. Kancherla, G. Tier, A. Williams, S. Little, K. Crofton, AND R. Thomas. The ToxCast Chemical Landscape - Paving the Road to 21st Century Toxicology. CHEMICAL RESEARCH IN TOXICOLOGY. American Chemical Society, Washington, DC, 29(8):1225-1251, (2016).

Richard, A. The ToxCast Chemical Landscape: Paving the Road to 21st Century Toxicology (CompTox Community of Practice Webinar, RTP, NC). Presented at CompTox Community of Practice Webinar, RTP, NC, December 15, 2016. https://doi.org/10.23645/epacomptox.5056363

Mansouri, K., Chris Grulke, A. Richard, R. Judson, AND A. Williams. The importance of data curation on QSAR Modeling - PHYSPROP open data as a case study. (QSAR 2016). Presented at QSAR 2016, Miami, Fl, June 13 - 17, 2016. https://doi.org/10.23645/epacomptox.5071291

Mansouri, K., Chris Grulke, A. Richard, AND A. Williams. The influence of data curation on QSAR Modeling - examining issues of quality versus quantity of data (American Chemical Society). Presented at American Chemical Society, San Diego, CA, March 13 - 17, 2016. https://doi.org/10.23645/epacomptox.5058481

Williams, A., K. Mansouri, A. Richard, AND Chris Grulke. The influence of data curation on QSAR Modeling – examining issues of quality versus quantity of data (SOT). Presented at Society of Toxicology, New Orleans, LA, March 13 - 17, 2016. https://doi.org/10.23645/epacomptox.5176573